N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C16H21N3O2 — CID 119032374

IUPACN-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C16H21N3O2/c1-4-19(9-10(2)8-17)16(21)15-11(3)14-12(18-15)6-5-7-13(14)20/h10,18H,4-7,9H2,1-3H3
InChIKeyASNRWQWNHDNRQB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.46
Rot. Bonds4

About N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 119032374) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID119032374
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C16H21N3O2/c1-4-19(9-10(2)8-17)16(21)15-11(3)14-12(18-15)6-5-7-13(14)20/h10,18H,4-7,9H2,1-3H3
InChIKeyASNRWQWNHDNRQB-UHFFFAOYSA-N
XLogP2.46
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119206034
methyl (2S)-2-methyl-3-[methyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 94824119
2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119189193
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 39859299
3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 120827064
N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31683117
N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 127929607
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47014543
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51284078
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55720483

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 119032374) is N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCN(CC(C)C#N)C(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is ASNRWQWNHDNRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(9-10(2)8-17)16(21)15-11(3)14-12(18-15)6-5-7-13(14)20/h10,18H,4-7,9H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 119032374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).